Cas no 55497-67-1 (27-hydroxyoleanoic acid)
27-hydroxyoleanoic acid structure
Product Name:27-hydroxyoleanoic acid
CAS No:55497-67-1
MF:C30H48O4
MW:472.699729919434
CID:2036776
PubChem ID:12001894
Update Time:2025-04-21
27-hydroxyoleanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 27-hydroxyoleanoic acid
- 3,27-dihydroxy-12-oleanen-28-oic acid
- 3beta,27-dihydroxyolean-12-en-28-oic acid
- myricerol
- Q27139417
- CHEMBL498636
- SCHEMBL4668032
- (3beta)-3,27-dihydroxyolean-12-en-28-oic acid
- CHEBI:71171
- (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- 55497-67-1
- DTXSID601318614
- Olean-12-en-28-oic acid, 3,27-dihydroxy-, (3beta)-
-
- Inchi： 1S/C30H48O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,27-,28+,29-,30-/m0/s1
- InChI Key： ADBMMSFXIFGNAX-MDAIVZGXSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(CO)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 472.35526001g/mol
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 904
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 77.8?2
27-hydroxyoleanoic acid Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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